>compound Daidzin_Daidzin
#instrument UPLC Q-Tof Premier, Waters
>formula C21H20O9
#smiles OC[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1Oc(c4)cc(O3)c(c4)C(=O)C(=C3)c(c2)ccc(O)c2
#RECORD LC-ESI-QTOF_train_data/PR100680.txt;LC-ESI-QTOF_train_data/PR100257.txt
>charge -1
>ionization [M-H]-
>parentmass 415.10293

>collision 5-60
132.0217 187.8
135.0087 97.89
195.046 290.0
223.0403 513.0
224.0491 132.9
251.0357 316.2
252.0435 1763.0
253.0517 496.1
267.0679 172.2
295.062 120.4
415.1029 1117.0

>collision 5-60
137.0247 487.2
181.067 355.8
199.0772 670.7
255.0656 6092.0
417.1185 369.6

